N-(1-methylpyrazol-4-yl)-4-[(propan-2-ylamino)methyl]benzenesulfonamide

C14H20N4O2S — CID 60824032

IUPACN-(1-methylpyrazol-4-yl)-4-[(propan-2-ylamino)methyl]benzenesulfonamide
SMILESCC(C)NCc1ccc(S(=O)(=O)Nc2cnn(C)c2)cc1
InChIInChI=1S/C14H20N4O2S/c1-11(2)15-8-12-4-6-14(7-5-12)21(19,20)17-13-9-16-18(3)10-13/h4-7,9-11,15,17H,8H2,1-3H3
InChIKeyWXKAJZBGKZXUOB-UHFFFAOYSA-N
MW308.41 g/mol
LogP1.72
Rot. Bonds6

About N-(1-methylpyrazol-4-yl)-4-[(propan-2-ylamino)methyl]benzenesulfonamide

N-(1-methylpyrazol-4-yl)-4-[(propan-2-ylamino)methyl]benzenesulfonamide (PubChem CID 60824032) has the molecular formula C14H20N4O2S and a molecular weight of 308.41 g/mol. Its IUPAC name is N-(1-methylpyrazol-4-yl)-4-[(propan-2-ylamino)methyl]benzenesulfonamide.

Molecular Properties

Compound NameN-(1-methylpyrazol-4-yl)-4-[(propan-2-ylamino)methyl]benzenesulfonamide
PubChem CID60824032
Molecular FormulaC14H20N4O2S
Molecular Weight308.41 g/mol
Exact Mass308.13
IUPAC NameN-(1-methylpyrazol-4-yl)-4-[(propan-2-ylamino)methyl]benzenesulfonamide
SMILESCC(C)NCc1ccc(S(=O)(=O)Nc2cnn(C)c2)cc1
InChIInChI=1S/C14H20N4O2S/c1-11(2)15-8-12-4-6-14(7-5-12)21(19,20)17-13-9-16-18(3)10-13/h4-7,9-11,15,17H,8H2,1-3H3
InChIKeyWXKAJZBGKZXUOB-UHFFFAOYSA-N
XLogP1.72
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.41
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-hydroxy-N-(1-methylpyrazol-4-yl)benzenesulfonamide
CID 43535283
N-(1,2-oxazol-4-yl)-4-[(propan-2-ylamino)methyl]benzenesulfonamide
CID 62902953
N-(1-ethylpyrazol-4-yl)-4-(methylaminomethyl)benzenesulfonamide
CID 60824964
2-[4-[(4-fluorophenyl)sulfonylamino]phenyl]-N-(1-methylpyrazol-4-yl)acetamide
CID 32604191
N-[[4-(1-methylpyrazol-4-yl)oxyphenyl]methyl]propan-2-amine
CID 116793098
6-cyano-N-(1-methylpyrazol-4-yl)pyridine-3-sulfonamide
CID 113229615
4-amino-3-fluoro-N-(1-methylpyrazol-4-yl)benzenesulfonamide
CID 82843709
4-amino-3-chloro-N-(1-methylpyrazol-4-yl)benzenesulfonamide
CID 115329714
3-[(1R)-1-(methylamino)propyl]-N-(1-methylpyrazol-4-yl)benzenesulfonamide
CID 93345301
2-(ethylamino)-N-(1-methylpyrazol-4-yl)pyrimidine-5-sulfonamide
CID 62146781
N-(5-bromo-1,3-thiazol-2-yl)-4-[(propan-2-ylamino)methyl]benzenesulfonamide
CID 60823723
N-(1-cyclopropylethyl)-4-[(propan-2-ylamino)methyl]benzenesulfonamide
CID 60823570

Frequently Asked Questions

What is the IUPAC name of N-(1-methylpyrazol-4-yl)-4-[(propan-2-ylamino)methyl]benzenesulfonamide?
The IUPAC name of N-(1-methylpyrazol-4-yl)-4-[(propan-2-ylamino)methyl]benzenesulfonamide (CID 60824032) is N-(1-methylpyrazol-4-yl)-4-[(propan-2-ylamino)methyl]benzenesulfonamide.
What is the SMILES notation for N-(1-methylpyrazol-4-yl)-4-[(propan-2-ylamino)methyl]benzenesulfonamide?
The canonical SMILES for N-(1-methylpyrazol-4-yl)-4-[(propan-2-ylamino)methyl]benzenesulfonamide is CC(C)NCc1ccc(S(=O)(=O)Nc2cnn(C)c2)cc1.
What is the InChIKey of N-(1-methylpyrazol-4-yl)-4-[(propan-2-ylamino)methyl]benzenesulfonamide?
The InChIKey is WXKAJZBGKZXUOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O2S/c1-11(2)15-8-12-4-6-14(7-5-12)21(19,20)17-13-9-16-18(3)10-13/h4-7,9-11,15,17H,8H2,1-3H3.
What are the key properties of N-(1-methylpyrazol-4-yl)-4-[(propan-2-ylamino)methyl]benzenesulfonamide?
N-(1-methylpyrazol-4-yl)-4-[(propan-2-ylamino)methyl]benzenesulfonamide has a molecular weight of 308.41 g/mol, XLogP of 1.72, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methylpyrazol-4-yl)-4-[(propan-2-ylamino)methyl]benzenesulfonamide is sourced from PubChem (CID 60824032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).